Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "92cf2f7c80e0d36550e90358f80dc771",
"space_group_name": "P 1",
"unit_cell": {
"a": 107.475,
"b": 113.967,
"c": 125.772,
"alpha": 78.31,
"beta": 70.18,
"gamma": 65.88
},
"wavelengths": [0.95365],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.840,2.430],
"number_observations_unique": 189143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.470,2.430],
"number_observations": 33652,
"number_observations_unique": 9288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.804
},
{
"type": "R(meas)",
"value": 0.945
},
{
"type": "R(pim)",
"value": 0.492
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.655
}
]
},
{
"resolution_limits": [48.840,13.310],
"number_observations": 3984,
"number_observations_unique": 1117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 30.100
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
}
]
}